Materials Data on TlAg3S2 by Materials Project
Ag3TlS2 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a linear geometry to two equivalent S2- atoms. Both Ag–S bond lengths are 2.43 Å. In the second Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to two equivalent Tl1+ and three equivalent S2- atoms. There are one shorter (3.35 Å) and one longer (3.37 Å) Ag–Tl bond lengths. There are two shorter (2.53 Å) and one longer (2.69 Å) Ag–S bond lengths. Tl1+ is bonded in a 2-coordinate geometry to four equivalent Ag1+ and four equivalent S2- atoms. There are two shorter (3.09 Å) and two longer (3.43 Å) Tl–S bond lengths. S2- is bonded in a 4-coordinate geometry to four Ag1+ and two equivalent Tl1+ atoms.